3-(1,4,5-triphenylimidazol-2-yl)-1-[6-[3-(1,4,5-triphenylimidazol-2-yl)indol-1-yl]hexyl]indole

C64H52N6 — CID 102365164

About 3-(1,4,5-triphenylimidazol-2-yl)-1-[6-[3-(1,4,5-triphenylimidazol-2-yl)indol-1-yl]hexyl]indole

3-(1,4,5-triphenylimidazol-2-yl)-1-[6-[3-(1,4,5-triphenylimidazol-2-yl)indol-1-yl]hexyl]indole (PubChem CID 102365164) has the molecular formula C64H52N6 and a molecular weight of 905.16 g/mol. Its IUPAC name is 3-(1,4,5-triphenylimidazol-2-yl)-1-[6-[3-(1,4,5-triphenylimidazol-2-yl)indol-1-yl]hexyl]indole.

Molecular Properties

• Compound Name: 3-(1,4,5-triphenylimidazol-2-yl)-1-[6-[3-(1,4,5-triphenylimidazol-2-yl)indol-1-yl]hexyl]indole
• PubChem CID: 102365164
• Molecular Formula: C64H52N6
• Molecular Weight: 905.16 g/mol
• Exact Mass: 904.43
• IUPAC Name: 3-(1,4,5-triphenylimidazol-2-yl)-1-[6-[3-(1,4,5-triphenylimidazol-2-yl)indol-1-yl]hexyl]indole
• SMILES: c1ccc(-c2nc(-c3cn(CCCCCCn4cc(-c5nc(-c6ccccc6)c(-c6ccccc6)n5-c5ccccc5)c5ccccc54)c4ccccc34)n(-c3ccccc3)c2-c2ccccc2)cc1
• InChI: InChI=1S/C64H52N6/c1(25-43-67-45-55(53-39-21-23-41-57(53)67)63-65-59(47-27-9-3-10-28-47)61(49-31-13-5-14-32-49)69(63)51-35-17-7-18-36-51)2-26-44-68-46-56(54-40-22-24-42-58(54)68)64-66-60(48-29-11-4-12-30-48)62(50-33-15-6-16-34-50)70(64)52-37-19-8-20-38-52/h3-24,27-42,45-46H,1-2,25-26,43-44H2
• InChIKey: DASFVMWWLKVMLW-UHFFFAOYSA-N
• XLogP: 16.23
• TPSA: 45.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.16
LogP ≤ 5	16.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1,4,5-triphenylimidazol-2-yl)-1-[6-[3-(1,4,5-triphenylimidazol-2-yl)indol-1-yl]hexyl]indole?

The IUPAC name of 3-(1,4,5-triphenylimidazol-2-yl)-1-[6-[3-(1,4,5-triphenylimidazol-2-yl)indol-1-yl]hexyl]indole (CID 102365164) is 3-(1,4,5-triphenylimidazol-2-yl)-1-[6-[3-(1,4,5-triphenylimidazol-2-yl)indol-1-yl]hexyl]indole.

What is the SMILES notation for 3-(1,4,5-triphenylimidazol-2-yl)-1-[6-[3-(1,4,5-triphenylimidazol-2-yl)indol-1-yl]hexyl]indole?

The canonical SMILES for 3-(1,4,5-triphenylimidazol-2-yl)-1-[6-[3-(1,4,5-triphenylimidazol-2-yl)indol-1-yl]hexyl]indole is c1ccc(-c2nc(-c3cn(CCCCCCn4cc(-c5nc(-c6ccccc6)c(-c6ccccc6)n5-c5ccccc5)c5ccccc54)c4ccccc34)n(-c3ccccc3)c2-c2ccccc2)cc1.

What is the InChIKey of 3-(1,4,5-triphenylimidazol-2-yl)-1-[6-[3-(1,4,5-triphenylimidazol-2-yl)indol-1-yl]hexyl]indole?

The InChIKey is DASFVMWWLKVMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N6/c1(25-43-67-45-55(53-39-21-23-41-57(53)67)63-65-59(47-27-9-3-10-28-47)61(49-31-13-5-14-32-49)69(63)51-35-17-7-18-36-51)2-26-44-68-46-56(54-40-22-24-42-58(54)68)64-66-60(48-29-11-4-12-30-48)62(50-33-15-6-16-34-50)70(64)52-37-19-8-20-38-52/h3-24,27-42,45-46H,1-2,25-26,43-44H2.

What are the key properties of 3-(1,4,5-triphenylimidazol-2-yl)-1-[6-[3-(1,4,5-triphenylimidazol-2-yl)indol-1-yl]hexyl]indole?

3-(1,4,5-triphenylimidazol-2-yl)-1-[6-[3-(1,4,5-triphenylimidazol-2-yl)indol-1-yl]hexyl]indole has a molecular weight of 905.16 g/mol, XLogP of 16.23, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,4,5-triphenylimidazol-2-yl)-1-[6-[3-(1,4,5-triphenylimidazol-2-yl)indol-1-yl]hexyl]indole is sourced from PubChem (CID 102365164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).